Home Aminos Butanoic acid, 4-(2-pyrimidinylamino)- (9CI)

Butanoic acid, 4-(2-pyrimidinylamino)- (9CI)

CAS No.:
27179-33-5
Catalog Number:
AG00BNYU
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
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Product Description
Catalog Number:
AG00BNYU
Chemical Name:
Butanoic acid, 4-(2-pyrimidinylamino)- (9CI)
CAS Number:
27179-33-5
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
MDL Number:
MFCD08445194
IUPAC Name:
4-(pyrimidin-2-ylamino)butanoic acid
InChI:
InChI=1S/C8H11N3O2/c12-7(13)3-1-4-9-8-10-5-2-6-11-8/h2,5-6H,1,3-4H2,(H,12,13)(H,9,10,11)
InChI Key:
RVGJESXWPZEPBG-UHFFFAOYSA-N
SMILES:
OC(=O)CCCNc1ncccn1
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties